N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

C23H20BrN7O — CID 139488150

IUPACN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C23H20BrN7O/c24-18-5-6-29-14-26-20(21(29)7-18)9-25-23(32)17-8-27-31(11-17)13-19-12-30-10-16(15-1-2-15)3-4-22(30)28-19/h3-8,10-12,14-15H,1-2,9,13H2,(H,25,32)
InChIKeyZEWKVFDLIOUNBA-UHFFFAOYSA-N
MW490.37 g/mol
LogP3.80
Rot. Bonds6

About N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139488150) has the molecular formula C23H20BrN7O and a molecular weight of 490.37 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139488150
Molecular FormulaC23H20BrN7O
Molecular Weight490.37 g/mol
Exact Mass489.09
IUPAC NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
InChIInChI=1S/C23H20BrN7O/c24-18-5-6-29-14-26-20(21(29)7-18)9-25-23(32)17-8-27-31(11-17)13-19-12-30-10-16(15-1-2-15)3-4-22(30)28-19/h3-8,10-12,14-15H,1-2,9,13H2,(H,25,32)
InChIKeyZEWKVFDLIOUNBA-UHFFFAOYSA-N
XLogP3.80
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139488150) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.
What is the InChIKey of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZEWKVFDLIOUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN7O/c24-18-5-6-29-14-26-20(21(29)7-18)9-25-23(32)17-8-27-31(11-17)13-19-12-30-10-16(15-1-2-15)3-4-22(30)28-19/h3-8,10-12,14-15H,1-2,9,13H2,(H,25,32).
What are the key properties of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 490.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).